Information card for entry 2217039

Structure parameters

• Chemical name: catena-Poly[[[bis(methylamine)zinc(II)]-μ-4,4'-oxydibenzoato] N,N-dimethylacetamide]
• Formula: C20 H27 N3 O6 Zn
• Calculated formula: C20 H27 N3 O6 Zn
• SMILES: [Zn](OC(=O)c1ccc(Oc2ccc(cc2)C(=O)[O-])cc1)([NH2]C)([NH2]C)OC(=O)c1ccc(Oc2ccc(C(=O)O[Zn]([NH2]C)[NH2]C)cc2)cc1.O=C(N(C)C)C.O=C(N(C)C)C
• Title of publication: <i>catena</i>-Poly[[[bis(methylamine)zinc(II)]-μ-4,4'-oxydibenzoato] <i>N</i>,<i>N</i>-dimethylacetamide solvate]
• Authors of publication: Xu, Xianzhu; Wang, Peng; Shi, Shujie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m90 - m90
• a: 27.617 ± 0.006 Å
• b: 8.9276 ± 0.0018 Å
• c: 21.212 ± 0.004 Å
• α: 90°
• β: 122.46 ± 0.03°
• γ: 90°
• Cell volume: 4413 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes